Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 2/20 | 0.41 |
| ▸ | CAPN1 | P07384 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 5/20 | 0.36 |
| ▸ | IL1B | P01584 | 2/20 | 0.35 |
| ▸ | PLG | P00747 | 2/20 | 0.34 |
| ▸ | PLAT | P00750 | 2/20 | 0.34 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.34 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.34 |
| ▸ | ACE | P12821 | 1/20 | 0.34 |
| ▸ | F2 | P00734 | 1/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL17793277 | 1.00 | CTSK (0.41) | CTSKCAPN1CYP3A4CYP2D6CASP1 | |
| SCHEMBL8073741 | 0.86 | CYP3A4 (0.42) | CAPN1CYP3A4CYP2D6CASP1IL1B | |
| SCHEMBL13470009 | 0.85 | F2 (0.44) | CTSKCAPN1PLGPLATITGB1 | |
| SCHEMBL8049932 | 0.84 | CTSK (0.40) | CTSKCAPN1CASP1IL1BPLG | |
| SCHEMBL13528903 | 0.81 | F2 (0.42) | CAPN1CYP3A4CYP2D6CASP1IL1B | |
| SCHEMBL16357798 | 0.80 | CTSK (0.39) | CTSKCYP3A4CYP2D6CASP1PLG | |
| SCHEMBL24226025 | 0.79 | CYP3A4 (0.41) | CAPN1CYP3A4CYP2D6ACE | |
| SCHEMBL26079415 | 0.79 | KMT2A (0.49) | CTSKCAPN1CYP3A4CYP2D6 | |
| SCHEMBL9911458 | 0.78 | CYP3A4 (0.50) | CYP3A4CYP2D6ACEF2 | |
| SCHEMBL12733449 | 0.78 | CYP3A4 (0.50) | CYP3A4CYP2D6ACEF2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0983228-A4 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2002-08-07 | — | — | EP | claimed |
| EP-0983228-A1 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2000-03-08 | — | — | EP | claimed |
| WO-1998050342-A1 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 1998-11-12 | — | — | WO | claimed |